2-[7-chloranyl-1-(2-methoxy-4-nitro-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[7-chloranyl-1-(2-methoxy-4-nitro-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[7-chloro-1-(2-methoxy-4-nitro-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[7-chloro-1-[(2-methoxy-4-nitrophenyl)-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethyl ester IUPAC Name: 2-[7-chloro-1-(2-methoxy-4-nitrobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[7-chloro-1-(2-methoxy-4-nitro-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethyl ester Formula: C27H27ClN2O7S MolecularWeight: 559.03048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CCCN(C3=C2C=C(C=C3)Cl)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CCCN(C3=C2C=C(C=C3)Cl)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C27H27ClN2O7S/c1-18-5-9-22(10-6-18)38(34,35)37-15-13-19-4-3-14-29(25-12-7-20(28)16-24(19)25)27(31)23-11-8-21(30(32)33)17-26(23)36-2/h5-12,16-17,19H,3-4,13-15H2,1-2H3